N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide

C20H22N2O4 — CID 25163517

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O4/c1-3-10-22(12-19(23)21-16-7-5-4-6-14(16)2)20(24)15-8-9-17-18(11-15)26-13-25-17/h4-9,11H,3,10,12-13H2,1-2H3,(H,21,23)
InChIKeyJSCXJIUPVUTLBD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide

N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 25163517) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
PubChem CID25163517
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O4/c1-3-10-22(12-19(23)21-16-7-5-4-6-14(16)2)20(24)15-8-9-17-18(11-15)26-13-25-17/h4-9,11H,3,10,12-13H2,1-2H3,(H,21,23)
InChIKeyJSCXJIUPVUTLBD-UHFFFAOYSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 31975764
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 27773087
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
3-[1,3-benzodioxole-5-carbonyl-[2-[3-methylbutyl-[2-[4-[(2-methylphenyl)carbamoylamino]anilino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 58599274
3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide
CID 38682731
3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
CID 60504091
4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 24817036
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 38687361
1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylphenyl)thiourea
CID 5169970

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide (CID 25163517) is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is JSCXJIUPVUTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-10-22(12-19(23)21-16-7-5-4-6-14(16)2)20(24)15-8-9-17-18(11-15)26-13-25-17/h4-9,11H,3,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 25163517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).